../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C H N O
AB5CD3_oP80_56_e_5e_e_3e
a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10
standard
1
7.3623 1.4579683 1.1907149 0.98964561 0.24857824 0.84503725 0.6905475 0.066103174 0.66363505 0.36714223 0.033461132 0.86758769 0.79860759 0.061553444 0.49151047 0.16251162 0.061315668 0.94847417 0.018448938 0.23456141 0.62206265 0.7542386 0.0088392377 0.58400779 0.017093971 0.1923506 0.97181226 0.031016942 0.18197774 0.72007689 0.92976349 0.35988107 0.83177077
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003